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Glutaric acid, 2-fluorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-fluorophenyl heptadecyl ester
SpectraBase Compound ID 1xXRqhp7Tb6
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-32-27(30)22-19-23-28(31)33-26-21-17-16-20-25(26)29/h16-17,20-21H,2-15,18-19,22-24H2,1H3
InChIKey JGRYCONLMWFUDQ-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H45FO4
Exact Mass 464.330188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcWHMpf636u
Name Glutaric acid, 2-fluorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-32-27(30)22-19-23-28(31)33-26-21-17-16-20-25(26)29/h16-17,20-21H,2-15,18-19,22-24H2,1H3
InChIKey JGRYCONLMWFUDQ-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1F)=O)=O